AB60869
577-59-3 | 2'-Nitroacetophenone
Manufacturer: A2B Chem
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CatalogNumber
AB60869
ChemicalName
2'-Nitroacetophenone
CasNumber
577-59-3
MolecularFormula
C8H7NO3
MolecularWeight
165.1461
MdlNumber
MFCD00007144
Smiles
[O-][N+](=O)c1ccccc1C(=O)C
NscNumber
3641
Complexity
197
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AB60869
ChemicalName: 2'-Nitroacetophenone
CasNumber: 577-59-3
MolecularFormula: C8H7NO3
MolecularWeight: 165.1461
MdlNumber: MFCD00007144
Smiles: [O-][N+](=O)c1ccccc1C(=O)C
NscNumber: 3641
Complexity: 197
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AB60869
ChemicalName:
2'-Nitroacetophenone
CasNumber:
577-59-3
MolecularFormula:
C8H7NO3
MolecularWeight:
165.1461
MdlNumber:
MFCD00007144
Smiles:
[O-][N+](=O)c1ccccc1C(=O)C
NscNumber:
3641
Complexity:
197
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1O)C(=O)C=C1[C@@H]2CC[C@]2([C@@]1(O)CC[C@@H]2[C@]([C@@H](CCC(O)(C)C)O)(O)C)C
NscNumber: __
Complexity: 869
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1O)C(=O)C=C1[C@@H]2CC[C@]2([C@@]1(O)CC[C@@H]2[C@]([C@@H](CCC(O)(C)C)O)(O)C)C
NscNumber:
__
Complexity:
869
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCCCCCCCCCCCCCCCCCCCCC(=O)O
NscNumber: __
Complexity: 286
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 10.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCCCCCCCCCCCCCCCCCCCCC(=O)O
NscNumber:
__
Complexity:
286
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
10.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__